4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline

C15H15N5O — CID 104503160

IUPAC4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
SMILESCC(Cc1nc(-c2cnccn2)no1)c1ccc(N)cc1
InChIInChI=1S/C15H15N5O/c1-10(11-2-4-12(16)5-3-11)8-14-19-15(20-21-14)13-9-17-6-7-18-13/h2-7,9-10H,8,16H2,1H3
InChIKeyPHGNPJTZYBCQDB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.45
Rot. Bonds4

About 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline

4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline (PubChem CID 104503160) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
PubChem CID104503160
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
SMILESCC(Cc1nc(-c2cnccn2)no1)c1ccc(N)cc1
InChIInChI=1S/C15H15N5O/c1-10(11-2-4-12(16)5-3-11)8-14-19-15(20-21-14)13-9-17-6-7-18-13/h2-7,9-10H,8,16H2,1H3
InChIKeyPHGNPJTZYBCQDB-UHFFFAOYSA-N
XLogP2.45
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104788807
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
1,1,1-trifluoro-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
4-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503214
4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503164
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235
4-[(E)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115342427
4-[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503178
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline (CID 104503160) is 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline is CC(Cc1nc(-c2cnccn2)no1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline?
The InChIKey is PHGNPJTZYBCQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(11-2-4-12(16)5-3-11)8-14-19-15(20-21-14)13-9-17-6-7-18-13/h2-7,9-10H,8,16H2,1H3.
What are the key properties of 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline?
4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline has a molecular weight of 281.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline is sourced from PubChem (CID 104503160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).